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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 2C9' and Monomerid = 50222227   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50222227
PNG
((E)-1-(4-((4-(4-chlorophenyl)piperidin-1-yl)methyl...)
Show SMILES Clc1ccc(cc1)C1CCN(CC2CCN(CC2)C(=O)\C=C\c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C26H29Cl3N2O/c27-23-5-3-21(4-6-23)22-11-13-30(14-12-22)18-20-9-15-31(16-10-20)26(32)8-2-19-1-7-24(28)25(29)17-19/h1-8,17,20,22H,9-16,18H2/b8-2+
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Similars

Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9


Bioorg Med Chem Lett 17: 5964-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.065
BindingDB Entry DOI: 10.7270/Q2WD408X
More data for this
Ligand-Target Pair